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Substance Name: Carbamic acid, ethyl-, diester with (2-butoxy-3-methoxyphenethyl)iminodiethanol, malonate, hydrate
RN: 72017-46-0
InChIKey: IXRMYBPDLSLADK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H39-N3-O6.C3-H4-O4.H2-O

Molecular Weight

  • 557.637
 
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Names and Synonyms

Synonym

  • Ethanol, 2,2'-(2-butoxy-3-methoxyphenethyl)iminodi-, bis(ethylcarbamate), malonate hydrate

Systematic Name

  • Carbamic acid, ethyl-, diester with (2-butoxy-3-methoxyphenethyl)iminodiethanol, malonate, hydrate

Registry Numbers

CAS Registry Number

  • 72017-46-0

System Generated Number

  • 0072017460

Molecular Formulas

Molecular Formula

  • C23-H39-N3-O6.C3-H4-O4.H2-O

Molecular Formula Fragments

  • C23-H39-N3-O6
  • C3-H4-O4
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C23H39N3O6.C3H4O4/c1-5-8-16-30-21-19(10-9-11-20(21)29-4)12-13-26(14-17-31-22(27)24-6-2)15-18-32-23(28)25-7-3;4-2(5)1-3(6)7/h9-11H,5-8,12-18H2,1-4H3,(H,24,27)(H,25,28);1H2,(H,4,5)(H,6,7)

InChIKey

IXRMYBPDLSLADK-UHFFFAOYSA-N

Smiles

c1(c(CC[NH+](CCOC(NCC)=O)CCOC(NCC)=O)cccc1OC)OCCCC.C(C(O)=O)C(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 18mg/kg (18mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 648, 1970.